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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004550

(3R,3aS,6aS)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dimethoxyphenyl]-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one

Formula: C25H34O15  |  Mol. Weight: 574.50 g/mol

IUPAC: (3R,3aS,6aS)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dimethoxyphenyl]-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one

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Overview

Molecular Formula C25H34O15
Molecular Weight 574.50 g/mol
Canonical SMILES COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(CO)O)O)OC)C4C5COC(=O)C5CO4

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy